ChemSpider 2D Image | 4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine | C7H6ClN3S

4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

  • Molecular FormulaC7H6ClN3S
  • Average mass199.661 Da
  • Monoisotopic mass198.997101 Da
  • ChemSpider ID24534284

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1120214-78-9 [RN]
4-Chlor-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazin [German] [ACD/IUPAC Name]
4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine [ACD/IUPAC Name]
4-Chloro-2-(méthylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine [French] [ACD/IUPAC Name]
Pyrrolo[2,1-f][1,2,4]triazine, 4-chloro-2-(methylthio)- [ACD/Index Name]
4-Chloro-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine
4-Chloro-2-(methylthio)pyrrolo[1,2-f][1,2,4]triazine
4-Chloro-2-(methylthio)pyrrolo[2,1-f][1,2,4]triazine
4-chloro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
54346-19-9 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.722
    Molar Refractivity: 52.0±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.23
    ACD/KOC (pH 5.5): 399.33
    ACD/LogD (pH 7.4): 2.25
    ACD/BCF (pH 7.4): 30.23
    ACD/KOC (pH 7.4): 399.33
    Polar Surface Area: 55 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 56.2±7.0 dyne/cm
    Molar Volume: 131.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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